ATOM 20
1 C1z C 26.8585 -20.2371
2 C1z C 26.8643 -18.8787
3 C1y C 28.0303 -20.9191
4 C1x C 28.1711 -19.5492
5 N1y N 25.6868 -20.9191
6 C1y C 28.0477 -18.2084
7 C2x C 25.6751 -18.2024
8 O1a O 26.8526 -17.5204
9 C1y C 29.2195 -20.2487
10 C1x C 28.0303 -22.2716
11 C1z C 29.2195 -17.5145
12 C1x C 24.5150 -20.2371
13 C1x C 25.6868 -22.2658
14 C1x C 29.1554 -18.8903
15 C2x C 24.5150 -18.8787
16 O7x O 30.3912 -19.5608
17 C1x C 26.8585 -22.9478
18 C7x C 30.3971 -18.1967
19 C1a C 29.2137 -16.1563
20 O6a O 31.5689 -17.5088
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 11 4 1
11 5 12 1
12 5 13 1
13 6 14 1
14 7 15 2
15 9 16 1 #Up
16 10 17 1
17 11 18 1
18 11 19 1
19 18 20 2
20 6 11 1 #Up
21 9 14 1
22 12 15 1
23 13 17 1
24 16 18 1
|